N-(3-quinoxalin-2-ylphenyl)thiophene-2-sulfonamide

C18H13N3O2S2 — CID 1485420

IUPACN-(3-quinoxalin-2-ylphenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(-c2cnc3ccccc3n2)c1)c1cccs1
InChIInChI=1S/C18H13N3O2S2/c22-25(23,18-9-4-10-24-18)21-14-6-3-5-13(11-14)17-12-19-15-7-1-2-8-16(15)20-17/h1-12,21H
InChIKeyZVEAXJMWGAWVFV-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.16
Rot. Bonds4

About N-(3-quinoxalin-2-ylphenyl)thiophene-2-sulfonamide

N-(3-quinoxalin-2-ylphenyl)thiophene-2-sulfonamide (PubChem CID 1485420) has the molecular formula C18H13N3O2S2 and a molecular weight of 367.46 g/mol. Its IUPAC name is N-(3-quinoxalin-2-ylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-quinoxalin-2-ylphenyl)thiophene-2-sulfonamide
PubChem CID1485420
Molecular FormulaC18H13N3O2S2
Molecular Weight367.46 g/mol
Exact Mass367.04
IUPAC NameN-(3-quinoxalin-2-ylphenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(-c2cnc3ccccc3n2)c1)c1cccs1
InChIInChI=1S/C18H13N3O2S2/c22-25(23,18-9-4-10-24-18)21-14-6-3-5-13(11-14)17-12-19-15-7-1-2-8-16(15)20-17/h1-12,21H
InChIKeyZVEAXJMWGAWVFV-UHFFFAOYSA-N
XLogP4.16
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-quinoxalin-2-ylphenyl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-quinoxalin-2-ylphenyl)thiophene-2-sulfonamide (CID 1485420) is N-(3-quinoxalin-2-ylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-quinoxalin-2-ylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-quinoxalin-2-ylphenyl)thiophene-2-sulfonamide is O=S(=O)(Nc1cccc(-c2cnc3ccccc3n2)c1)c1cccs1.
What is the InChIKey of N-(3-quinoxalin-2-ylphenyl)thiophene-2-sulfonamide?
The InChIKey is ZVEAXJMWGAWVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S2/c22-25(23,18-9-4-10-24-18)21-14-6-3-5-13(11-14)17-12-19-15-7-1-2-8-16(15)20-17/h1-12,21H.
What are the key properties of N-(3-quinoxalin-2-ylphenyl)thiophene-2-sulfonamide?
N-(3-quinoxalin-2-ylphenyl)thiophene-2-sulfonamide has a molecular weight of 367.46 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-quinoxalin-2-ylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 1485420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).